392898

2-Propanol-1,1,1,3,3,3-d₆

99 atom % D

• Synonym(s): Isopropanol-1,1,1,3,3,3-d₆, Isopropyl-1,1,1,3,3,3-d₆ alcohol
• Linear Formula: (CD₃)₂CHOH
• CAS Number: 3976-29-2
• Molecular Weight: 66.13
• Beilstein/REAXYS Number: 1699397
• MDL number: MFCD00144521
• UNSPSC Code: 12142201
• PubChem Substance ID: 24864492
• NACRES: NA.21

Properties

• isotopic purity: 99 atom % D
• assay: 99% (CP)
• form: liquid
• technique(s): NMR: suitable
• refractive index: n20/D 1.374 (lit.)
• bp: 82 °C (lit.)
• mp: -90 °C (lit.)
• density: 0.86 g/mL at 25 °C
• mass shift: M+6
• SMILES string: [2H]C([2H])([2H])C(O)C([2H])([2H])[2H]
• InChI: 1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3
• InChI key: KFZMGEQAYNKOFK-WFGJKAKNSA-N

Description

General description

2-Propanol-1,1,1,3,3,3-d₆ is 2-propanol with the hydrogen atoms on the –CH₃ groups replaced by deuterium. It has been reported to be synthesized by the reduction of per-deuterioacetone. Studies show that it exists in anti and gauche conformation.

Application

2-Propanol-1,1,1,3,3,3-d₆ may be used in the synthesis of isotopomers of isopropylformate.

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Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H319,H336
• pcodes: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 60.8 °F - closed cup
• flash_point_c: 16 °C - closed cup